2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C23H25ClN4O3 — CID 156907062

IUPAC2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C23H25ClN4O3/c1-15-7-8-25-13-20(15)26-21(29)11-16-9-18(24)12-19(10-16)30-14-22-27-28-23(31-22)17-5-3-2-4-6-17/h7-10,12-13,17H,2-6,11,14H2,1H3,(H,26,29)
InChIKeyKOXYBCASPNTQIV-UHFFFAOYSA-N
MW440.93 g/mol
LogP5.23
Rot. Bonds7

About 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 156907062) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID156907062
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C23H25ClN4O3/c1-15-7-8-25-13-20(15)26-21(29)11-16-9-18(24)12-19(10-16)30-14-22-27-28-23(31-22)17-5-3-2-4-6-17/h7-10,12-13,17H,2-6,11,14H2,1H3,(H,26,29)
InChIKeyKOXYBCASPNTQIV-UHFFFAOYSA-N
XLogP5.23
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 156907062) is 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2nnc(C3CCCCC3)o2)c1.
What is the InChIKey of 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is KOXYBCASPNTQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-15-7-8-25-13-20(15)26-21(29)11-16-9-18(24)12-19(10-16)30-14-22-27-28-23(31-22)17-5-3-2-4-6-17/h7-10,12-13,17H,2-6,11,14H2,1H3,(H,26,29).
What are the key properties of 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 440.93 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 156907062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).